Glycoside
GD137810
Name:
NoneFormula:
C28H35O17Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(OC4OC(C[OH2+])C(O)C(O)C4O)=CC(O)=CC3O2)cc(O)c1OAglycone:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 643.57 | Num_heavy_atoms: | 45 |
| TPSA: | 280.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD47695
Formula: C16H14O7
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
